1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide

C24H18N6O2S2 — CID 44824119

IUPAC1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H18N6O2S2/c1-30-20(22(32)28-24-26-19(14-34-24)16-10-6-3-7-11-16)12-17(29-30)21(31)27-23-25-18(13-33-23)15-8-4-2-5-9-15/h2-14H,1H3,(H,25,27,31)(H,26,28,32)
InChIKeyITTFAPQDKHPTOM-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.17
Rot. Bonds6

About 1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide

1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide (PubChem CID 44824119) has the molecular formula C24H18N6O2S2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
PubChem CID44824119
Molecular FormulaC24H18N6O2S2
Molecular Weight486.58 g/mol
Exact Mass486.09
IUPAC Name1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H18N6O2S2/c1-30-20(22(32)28-24-26-19(14-34-24)16-10-6-3-7-11-16)12-17(29-30)21(31)27-23-25-18(13-33-23)15-8-4-2-5-9-15/h2-14H,1H3,(H,25,27,31)(H,26,28,32)
InChIKeyITTFAPQDKHPTOM-UHFFFAOYSA-N
XLogP5.17
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 16952767
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 75451095
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
CID 30729881
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089476
5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26913407
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide
CID 107970959
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930773

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide (CID 44824119) is 1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide is Cn1nc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide?
The InChIKey is ITTFAPQDKHPTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2S2/c1-30-20(22(32)28-24-26-19(14-34-24)16-10-6-3-7-11-16)12-17(29-30)21(31)27-23-25-18(13-33-23)15-8-4-2-5-9-15/h2-14H,1H3,(H,25,27,31)(H,26,28,32).
What are the key properties of 1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide?
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide has a molecular weight of 486.58 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 44824119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).